3-(3-morpholin-4-ium-4-ylpropyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(2-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-(2-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(2-pyridylmethylthio)quinazolin-4-one Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=N4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=N4

InChI

InChI=1S/C21H24N4O2S/c26-20-18-7-1-2-8-19(18)23-21(28-16-17-6-3-4-9-22-17)25(20)11-5-10-24-12-14-27-15-13-24/h1-4,6-9H,5,10-16H2/p+1